2-Methylacetoacetyl CoA Sodium
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- structure.search.product.name 2-Methylacetoacetyl CoA Sodium
- Product Code: TRC-M275990
- Brand: TRC
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Product Information
Chemical Data
Analyte Name
2-Methylacetoacetyl CoA Sodium
Molecular Formula
C26H42N7O18P3S.xNa
Molecular Weight
888.62
Accurate Mass
888.1418
SMILES
NC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(OP(O)(OCC(C)([C@H](C(NCCC(NCCSC(C(C(C)=O)C)=O)=O)=O)O)C)=O)(O)=O)OP(O)(O)=O)O.Na
InChI
InChI=1S/C26H42N7O18P3S.Na/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33;/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42);/t13?,15-,18-,19-,20+,24-;/m1./s1
IUPAC
S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2-methyl-3-oxobutanethioate Sodium
Alternate CAS Number
6712-01-2
Product Data
Country of Origin
CANADA
Product Format
Neat
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